ethyl 3,5-dimethyl-4-(2-methylpropylcarbamoyl)-1-(phenylmethyl)pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-(2-methylpropylcarbamoyl)-1-(phenylmethyl)pyrrole-2-carboxylate Openeye Name: ethyl 1-benzyl-4-(isobutylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(2-methylpropylamino)-oxomethyl]-1-(phenylmethyl)-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3,5-dimethyl-4-(2-methylpropylcarbamoyl)pyrrole-2-carboxylate Traditional Name: 1-benzyl-4-(isobutylcarbamoyl)-3,5-dimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)NCC(C)C)C

InChI

InChI=1S/C21H28N2O3/c1-6-26-21(25)19-15(4)18(20(24)22-12-14(2)3)16(5)23(19)13-17-10-8-7-9-11-17/h7-11,14H,6,12-13H2,1-5H3,(H,22,24)